SCHEMBL8181519

SCHEMBL8181519

CCC(CC1CC1)Nc1nc(C)nc2c1sc(=S)n2-c1ccc(C(C)C)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8174266 0.90 CRHR1 (0.62) CRHR1
SCHEMBL5495331 0.76 CRHR1 (0.50) CRHR1
SCHEMBL8178609 0.75 CRHR1 (1.00) CRHR1
SCHEMBL8174556 0.73 CRHR1 (0.66) CRHR1
SCHEMBL7838650 0.71 CRHR1 (1.00) CRHR1
SCHEMBL8175913 0.71 CRHR1 (1.00) CRHR1
SCHEMBL8178987 0.70 CRHR1 (0.56) CRHR1
SCHEMBL7474752 0.68 CRHR1 (1.00) CRHR1
SCHEMBL5491177 0.66 CRHR1 (0.58) CRHR1
SCHEMBL7628570 0.66 CRHR1 (1.00) CRHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107294-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US claimed
US-6107294-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed